N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride

C22H20ClF2N3O — CID 10158807

IUPACN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c(F)c1
InChIInChI=1S/C22H19F2N3O.ClH/c23-18-4-5-19(20(24)11-18)17-10-15(13-26-14-17)12-25-8-9-28-21-3-1-2-16-6-7-27-22(16)21;/h1-7,10-11,13-14,25,27H,8-9,12H2;1H
InChIKeySBHFQTRYBQTRFM-UHFFFAOYSA-N
MW415.87 g/mol
LogP5.10
Rot. Bonds7

About N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride

N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride (PubChem CID 10158807) has the molecular formula C22H20ClF2N3O and a molecular weight of 415.87 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride
PubChem CID10158807
Molecular FormulaC22H20ClF2N3O
Molecular Weight415.87 g/mol
Exact Mass415.13
IUPAC NameN-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride
SMILESCl.Fc1ccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c(F)c1
InChIInChI=1S/C22H19F2N3O.ClH/c23-18-4-5-19(20(24)11-18)17-10-15(13-26-14-17)12-25-8-9-28-21-3-1-2-16-6-7-27-22(16)21;/h1-7,10-11,13-14,25,27H,8-9,12H2;1H
InChIKeySBHFQTRYBQTRFM-UHFFFAOYSA-N
XLogP5.10
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.87
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride (CID 10158807) is N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride is Cl.Fc1ccc(-c2cncc(CNCCOc3cccc4cc[nH]c34)c2)c(F)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride?
The InChIKey is SBHFQTRYBQTRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O.ClH/c23-18-4-5-19(20(24)11-18)17-10-15(13-26-14-17)12-25-8-9-28-21-3-1-2-16-6-7-27-22(16)21;/h1-7,10-11,13-14,25,27H,8-9,12H2;1H.
What are the key properties of N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride?
N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride has a molecular weight of 415.87 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-(1H-indol-7-yloxy)ethanamine;hydrochloride is sourced from PubChem (CID 10158807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).